(Z)-6-[3-[(N-cyano-N'-propyl-carbamimidoyl)amino]-4-methyl-phenyl]-6-pyridin-3-yl-hex-5-enoic acid

Systemtic Name: (Z)-6-[3-[(N-cyano-N'-propyl-carbamimidoyl)amino]-4-methyl-phenyl]-6-pyridin-3-yl-hex-5-enoic acid Openeye Name: (Z)-6-[3-[(N-cyano-N'-propyl-carbamimidoyl)amino]-4-methyl-phenyl]-6-(3-pyridyl)hex-5-enoic acid CAS Name: (Z)-6-[3-[[(cyanoamino)-propyliminomethyl]amino]-4-methylphenyl]-6-(3-pyridinyl)-5-hexenoic acid IUPAC Name: (Z)-6-[3-[(N-cyano-N'-propylcarbamimidoyl)amino]-4-methylphenyl]-6-pyridin-3-ylhex-5-enoic acid Traditional Name: (Z)-6-[3-[(N-cyano-N'-propyl-amidino)amino]-4-methyl-phenyl]-6-(3-pyridyl)hex-5-enoic acid Formula: C23H27N5O2 MolecularWeight: 405.49278

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Descriptors Computed from Structure

Canonical SMILES:

CCCN=C(NC#N)NC1=C(C=CC(=C1)C(=CCCCC(=O)O)C2=CN=CC=C2)C

Isomeric SMILES

CCCN=C(NC#N)NC1=C(C=CC(=C1)/C(=C/CCCC(=O)O)/C2=CN=CC=C2)C

InChI

InChI=1S/C23H27N5O2/c1-3-12-26-23(27-16-24)28-21-14-18(11-10-17(21)2)20(8-4-5-9-22(29)30)19-7-6-13-25-15-19/h6-8,10-11,13-15H,3-5,9,12H2,1-2H3,(H,29,30)(H2,26,27,28)/b20-8-